Information card for entry 7042624

Structure parameters

• Formula: C28 H20 N4 O4 Te4
• Calculated formula: C28 H20 N4 O4 Te4
• SMILES: c12c(C=[N]3O[Te]4c5c(C=[N]4O[Te]4c6c(C=[N]4O[Te]4c7c(C=[N]4O[Te]13)cccc7)cccc6)cccc5)cccc2
• Title of publication: Synthesis and Structural Characterisation of the Aggregates of Benzo-1,2-Chalcogenazole 2-Oxides
• Authors of publication: Ho, Peter Cheng-Wei; Rafique, Jamal; Lee, Jiwon; Lee, Myongwon Lucia; Jenkins, Hilary A.; Britten, James F.; Braga, Antonio Luiz; Vargas-Baca, Ignacio
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.225 ± 0.0002 Å
• b: 8.7915 ± 0.0003 Å
• c: 12.1257 ± 0.0004 Å
• α: 106.411 ± 0.002°
• β: 102.489 ± 0.002°
• γ: 90.001 ± 0.002°
• Cell volume: 719.81 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No